131 citations · 266 across the 6 of their papers we have counts for
6 papers
Hydrophobic interactions and hydrogen bonds in β-sheet formation
Chitra Narayanan, Cristiano L. Dias
In this study, we investigate interactions of extended conformations of homodimeric peptides made of small (glycine or alanine) and large hydrophobic (valine or leucine) sidechains…
Nucleation of cracks in a brittle sheet
Cristiano L. Dias, Jens Kroger, Daniel Vernon +1
We use molecular dynamics to study the nucleation of cracks in a two dimensional material without pre-existing cracks. We study models with zero and non-zero shear modulus. In both…
Three-dimensional "Mercedes-Benz" model for water
Cristiano L. Dias, Tapio Ala-Nissila, Martin Grant +1
In this paper we introduce a three-dimensional version of the Mercedes-Benz model to describe water molecules. In this model van der Waals interactions and hydrogen bonds are given…
Microscopic mechanism for cold denaturation
Cristiano L. Dias, Tapio Ala-Nissila, Mikko Karttunen +2
We elucidate the mechanism of cold denaturation through constant-pressure simulations for a model of hydrophobic molecules in an explicit solvent. We find that the temperature depe…
Unfolding designable structures
Cristiano L. Dias, Martin Grant
Among an infinite number of possible folds, nature has chosen only about 1000 distinct folds to form protein structures. Theoretical studies suggest that selected folds are intrins…
Point defects in models of amorphous silicon and their role in structural relaxation
Cristiano L. Dias, Laurent J. Lewis, S. Roorda
We have used tight-binding molecular-dynamics simulations to investigate the role of point defects (vacancies and interstitials) on structural relaxation in amorphous silicon. Our…